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(2R,5R,6R)-2-t-butyl-5-butyl-5,6-dimethyl-1,3-dioxan-4-one
SpectraBase Compound ID rLD8wyTTx8
InChI InChI=1S/C14H26O3/c1-7-8-9-14(6)10(2)16-12(13(3,4)5)17-11(14)15/h10,12H,7-9H2,1-6H3/t10-,12-,14-/m1/s1
InChIKey WRINUCDQEMWKJJ-MPKXVKKWSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LH1t3JnmPle
Name (2R,5R,6R)-2-t-butyl-5-butyl-5,6-dimethyl-1,3-dioxan-4-one
Alternate Name(s) (2R,5R,6R)-5-butyl-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-one
CAS Registry Number 134528-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-7-8-9-14(6)10(2)16-12(13(3,4)5)17-11(14)15/h10,12H,7-9H2,1-6H3/t10-,12-,14-/m1/s1
InChIKey WRINUCDQEMWKJJ-MPKXVKKWSA-N
Molecular Weight 242.359 g/mol
SMILES C1([C@@]([C@@](C)(O[C@](O1)(C(C)(C)C)[H])[H])(CCCC)C)=O
SPLASH splash10-074l-9200000000-c6456b0ca3d97d017b06
Source of Spectrum K-124-1841-10
Wiley ID 1245201